6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one

C16H25N3O3 — CID 56719135

IUPAC6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one
SMILESCCCC1COCCN1C(=O)c1cc(CC(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H25N3O3/c1-4-5-13-10-22-7-6-19(13)15(20)14-9-12(8-11(2)3)17-16(21)18-14/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21)
InChIKeySKXUXOIQXXWTTB-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.61
Rot. Bonds5

About 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one (PubChem CID 56719135) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one
PubChem CID56719135
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one
SMILESCCCC1COCCN1C(=O)c1cc(CC(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H25N3O3/c1-4-5-13-10-22-7-6-19(13)15(20)14-9-12(8-11(2)3)17-16(21)18-14/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21)
InChIKeySKXUXOIQXXWTTB-UHFFFAOYSA-N
XLogP1.61
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-({3-[2-(2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethyl]-4-morpholinyl}carbonyl)-6-isobutyl-2(1H)-pyrimidinone
CID 56916048
6-isobutyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 131899166
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
6-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77092176
N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 91771217
4-tert-butyl-6-[(3-propoxypiperidin-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 91777142
(6-Methyl-1,2-dihydropyrimidin-4-yl)-morpholin-4-ylmethanone
CID 118486711
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391730
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391731
6-methyl-4-(morpholin-3-ylmethyl)-1H-pyrimidin-2-one
CID 83858518
6-isobutyl-4-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 86284160
6-isobutyl-N-methyl-2-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,2-dihydropyrimidine-4-carboxamide
CID 86284254

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one (CID 56719135) is 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one is CCCC1COCCN1C(=O)c1cc(CC(C)C)[nH]c(=O)n1.
What is the InChIKey of 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is SKXUXOIQXXWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-5-13-10-22-7-6-19(13)15(20)14-9-12(8-11(2)3)17-16(21)18-14/h9,11,13H,4-8,10H2,1-3H3,(H,17,18,21).
What are the key properties of 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(3-propylmorpholine-4-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 56719135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).